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Phenoxyacetic acid derivatives

Organic compounds that are directly derived from phenoxyacetic acid; phenoxyacetic acid consists of a phenoxy group with a carboxylic acid group.

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1

2-Naphthoxyacetic acid, 97%

CAS: 120-23-0 Molecular Formula: C12H10O3 Molecular Weight (g/mol): 202.209 MDL Number: MFCD00004066 InChI Key: RZCJYMOBWVJQGV-UHFFFAOYSA-N Synonym: 2-naphthoxyacetic acid,2-naphthyloxy acetic acid,bnoa,2-naphthyloxyacetic acid,2-naphthalen-2-yloxy acetic acid,noxa,betoxon,2-noxa,naphthoxyacetic acid,betapal PubChem CID: 8422 ChEBI: CHEBI:50397 IUPAC Name: 2-naphthalen-2-yloxyacetic acid SMILES: C1=CC=C2C=C(C=CC2=C1)OCC(=O)O

PubChem CID 8422
CAS 120-23-0
Molecular Weight (g/mol) 202.209
ChEBI CHEBI:50397
MDL Number MFCD00004066
SMILES C1=CC=C2C=C(C=CC2=C1)OCC(=O)O
Synonym 2-naphthoxyacetic acid,2-naphthyloxy acetic acid,bnoa,2-naphthyloxyacetic acid,2-naphthalen-2-yloxy acetic acid,noxa,betoxon,2-noxa,naphthoxyacetic acid,betapal
IUPAC Name 2-naphthalen-2-yloxyacetic acid
InChI Key RZCJYMOBWVJQGV-UHFFFAOYSA-N
Molecular Formula C12H10O3
3

3-(Bromomethyl)phenoxyacetic acid, 97%

CAS: 136645-25-5 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.072 MDL Number: MFCD02093985 InChI Key: MSTODKGDFXWAIO-UHFFFAOYSA-N Synonym: 3-bromomethyl phenoxyacetic acid,2-3-bromomethyl phenoxy acetic acid,acmc-1c8fy PubChem CID: 7010327 IUPAC Name: 2-[3-(bromomethyl)phenoxy]acetic acid SMILES: C1=CC(=CC(=C1)OCC(=O)O)CBr

PubChem CID 7010327
CAS 136645-25-5
Molecular Weight (g/mol) 245.072
MDL Number MFCD02093985
SMILES C1=CC(=CC(=C1)OCC(=O)O)CBr
Synonym 3-bromomethyl phenoxyacetic acid,2-3-bromomethyl phenoxy acetic acid,acmc-1c8fy
IUPAC Name 2-[3-(bromomethyl)phenoxy]acetic acid
InChI Key MSTODKGDFXWAIO-UHFFFAOYSA-N
Molecular Formula C9H9BrO3
4

Hydroquinone-O,O'-diacetic acid, 98%

CAS: 2245-53-6 Molecular Formula: C10H10O6 Molecular Weight (g/mol): 226.18 MDL Number: MFCD00016816 InChI Key: DNXOCFKTVLHUMU-UHFFFAOYSA-N Synonym: 2,2'-1,4-phenylenebis oxy diacetic acid,1,4-phenylenedioxydiacetic acid,hydroquinone-o,o'-diacetic acid,1,4-dicarboxymethoxybenzene,hydroquinone-o,o-diacetic acid,acetic acid, p-phenylenedioxy di,acetic acid, 2,2'-1,4-phenylenebis oxy bis,2-4-carboxymethoxy phenoxy acetic acid PubChem CID: 75251 IUPAC Name: 2-[4-(carboxymethoxy)phenoxy]acetic acid SMILES: OC(=O)COC1=CC=C(OCC(O)=O)C=C1

PubChem CID 75251
CAS 2245-53-6
Molecular Weight (g/mol) 226.18
MDL Number MFCD00016816
SMILES OC(=O)COC1=CC=C(OCC(O)=O)C=C1
Synonym 2,2'-1,4-phenylenebis oxy diacetic acid,1,4-phenylenedioxydiacetic acid,hydroquinone-o,o'-diacetic acid,1,4-dicarboxymethoxybenzene,hydroquinone-o,o-diacetic acid,acetic acid, p-phenylenedioxy di,acetic acid, 2,2'-1,4-phenylenebis oxy bis,2-4-carboxymethoxy phenoxy acetic acid
IUPAC Name 2-[4-(carboxymethoxy)phenoxy]acetic acid
InChI Key DNXOCFKTVLHUMU-UHFFFAOYSA-N
Molecular Formula C10H10O6
5

4-Chloro-3,5-dimethylphenoxy)acetic Acid, TRC

CAS: 19545-95-0 Molecular Formula: C10H11ClO3 Molecular Weight (g/mol): 214.65 Synonym: (4-Chloro-3,5-dimethylphenoxy)acetic Acid,[(4-chloro-3,5-xylyl)oxy]acetic Acid;2-(4-Chloro-3,5-dimethylphenoxy)acetic Acid; IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)acetic acid SMILES: ClC1=C(C)C=C(OCC(O)=O)C=C1C

CAS 19545-95-0
Molecular Weight (g/mol) 214.65
SMILES ClC1=C(C)C=C(OCC(O)=O)C=C1C
Synonym (4-Chloro-3,5-dimethylphenoxy)acetic Acid,[(4-chloro-3,5-xylyl)oxy]acetic Acid;2-(4-Chloro-3,5-dimethylphenoxy)acetic Acid;
IUPAC Name 2-(4-chloro-3,5-dimethylphenoxy)acetic acid
Molecular Formula C10H11ClO3
6

GW 501516 Sulfoxide, TRC

CAS: 1206891-26-0 Molecular Formula: C21H18F3NO4S2 Molecular Weight (g/mol): 469.5 Synonym: 2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]sulfinyl]phenoxy]acetic Acid,2-(2-Methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methyl)sulfinyl)phenoxy)acetic Acid IUPAC Name: 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfinyl]phenoxy]acetic acid SMILES: O=S(CC1=C(C)N=C(C2=CC=C(C(F)(F)F)C=C2)S1)C3=CC=C(OCC(O)=O)C(C)=C3

CAS 1206891-26-0
Molecular Weight (g/mol) 469.5
SMILES O=S(CC1=C(C)N=C(C2=CC=C(C(F)(F)F)C=C2)S1)C3=CC=C(OCC(O)=O)C(C)=C3
Synonym 2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]sulfinyl]phenoxy]acetic Acid,2-(2-Methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methyl)sulfinyl)phenoxy)acetic Acid
IUPAC Name 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfinyl]phenoxy]acetic acid
Molecular Formula C21H18F3NO4S2
7

Alpha,Alpha-Bis[4-(dimethylamino)phenyl]-4-(phenylamino)-1-naphthalenemethanol (Technical Grade), TRC

CAS: 6786-83-0 Molecular Formula: C33 H33 N3 O Molecular Weight (g/mol): 487.63 Synonym: C.I. Solvent Blue 4,Aizen Victoria Blue B Base,Baso Blue 645,Brilliant Oil Blue B Base,C.I. 44045B,Fast Oil Blue B Base,Solvent Blue 4,Victoria Blue B Base,Victoria Blue BA Base,Victoria Blue BDP Base,Victoria Blue Base,Victoria Blue Base B,Victoria Blue Base FB,Waxoline Victoria Blue B IUPAC Name: (4-anilino-1-naphthyl)-bis[4-(dimethylamino)phenyl]methanol SMILES: CN(C)c1ccc(cc1)C(O)(c2ccc(cc2)N(C)C)c3ccc(Nc4ccccc4)c5ccccc35

CAS 6786-83-0
Molecular Weight (g/mol) 487.63
SMILES CN(C)c1ccc(cc1)C(O)(c2ccc(cc2)N(C)C)c3ccc(Nc4ccccc4)c5ccccc35
Synonym C.I. Solvent Blue 4,Aizen Victoria Blue B Base,Baso Blue 645,Brilliant Oil Blue B Base,C.I. 44045B,Fast Oil Blue B Base,Solvent Blue 4,Victoria Blue B Base,Victoria Blue BA Base,Victoria Blue BDP Base,Victoria Blue Base,Victoria Blue Base B,Victoria Blue Base FB,Waxoline Victoria Blue B
IUPAC Name (4-anilino-1-naphthyl)-bis[4-(dimethylamino)phenyl]methanol
Molecular Formula C33 H33 N3 O
8

GW 501516, TRC

CAS: 317318-70-0 Molecular Formula: C21 H18 F3 N O3 S2 Molecular Weight (g/mol): 453.5 Synonym: Acetic acid, 2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]-,Acetic acid, [2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]- (9CI),2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]acetic acid,2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]thiazol-5-yl]methyl]thio]phenoxy]acetic acid,GW 1516,GW 501516,Cardarine,Endurobol,Acetic acid, 2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]-,Acetic acid, [2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]- (9CI),2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]acetic acid,2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]thiazol-5-yl]methyl]thio]phenoxy]acetic acid,GW 1516,GW 501516,Cardarine,Endurobol IUPAC Name: 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid SMILES: Cc1cc(SCc2sc(nc2C)c3ccc(cc3)C(F)(F)F)ccc1OCC(=O)O

CAS 317318-70-0
Molecular Weight (g/mol) 453.5
SMILES Cc1cc(SCc2sc(nc2C)c3ccc(cc3)C(F)(F)F)ccc1OCC(=O)O
Synonym Acetic acid, 2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]-,Acetic acid, [2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]- (9CI),2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]acetic acid,2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]thiazol-5-yl]methyl]thio]phenoxy]acetic acid,GW 1516,GW 501516,Cardarine,Endurobol,Acetic acid, 2-[2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]-,Acetic acid, [2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]- (9CI),2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]acetic acid,2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]thiazol-5-yl]methyl]thio]phenoxy]acetic acid,GW 1516,GW 501516,Cardarine,Endurobol
IUPAC Name 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid
Molecular Formula C21 H18 F3 N O3 S2
9

Sofalcone, MedChemExpress

MedChemExpress Sofalcone, a gastric antiulcer agent, is known to induce the expression of Heme oxygenase-1 (HO-1) in gastric epithelium.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 450.52
Color Light Yellow
Physical Form Solid
Chemical Name or Material Sofalcone
Grade Research
SMILES O=C(O)COC1=CC(OC/C=C(C)/C)=CC=C1C(/C=C/C2=CC=C(OC/C=C(C)/C)C=C2)=O
For Use With (Application) COVID-19-immunoregulation
Percent Purity 99.12%
CAS 64506-49-6
Solubility Information DMSO : ≥ 100 mg/mL (221.97 mM) ∣H2O : < 0.1 mg/mL (insoluble)
Health Hazard 1 H302
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C27H30O6
Formula Weight 450.52
10

GW 501516, MedChemExpress

MedChemExpress GW 501516 (GW 1516) is a PPARδ agonist with an EC50 of 1.1 nM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 453.5
Color White
Physical Form Solid
Chemical Name or Material GW 501516
Grade Research
SMILES OC(COC1=CC=C(C=C1C)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)C)=O
For Use With (Application) Cancer-programmed cell death
Percent Purity 97.24%
CAS 317318-70-0
Solubility Information DMSO : ≥ 100 mg/mL (220.51 mM)
Synonym GW 1516 GSK-516
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C21H18F3NO3S2
Formula Weight 453.5
11

IMR-1A, MedChemExpress

MedChemExpress IMR-1A, a acid metabolite of IMR-1, is a Notch inhibitor with an IC50 of 0.5 μM. IMR-1A has a 50-fold increase in potency with respect to IMR-1. IMR-1 can metabolize in vivo to IMR-1A.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 325.36
Color Yellow
Physical Form Solid
Chemical Name or Material IMR-1A
Grade Research
SMILES O=C(O)COC1=CC=C(/C=C(SC(N2)=S)\C2=O)C=C1OC
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.23%
CAS 331862-41-0
Solubility Information DMSO : 2 mg/mL (6.15 mM; Need ultrasonic) ∣H2O : 1 mg/mL (3.07 mM; ultrasonic and warming and heat to 80°C)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C13H11NO5S2
Formula Weight 325.36
13

4-(Hydroxymethyl)phenoxyacetic acid, 98+%, Thermo Scientific™

CAS: 68858-21-9 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00057827 InChI Key: VUCNQOPCYRJCGQ-UHFFFAOYSA-N Synonym: 4-hydroxymethyl phenoxyacetic acid,4-hydroxymethylphenoxyacetic acid,2-4-hydroxymethyl phenoxy acetic acid,hmp linker,p-hydroxymethyl phenoxyacetic acid,4-hydroxymethyl-phenoxy acetic acid PubChem CID: 194291 IUPAC Name: 2-[4-(hydroxymethyl)phenoxy]acetic acid SMILES: C1=CC(=CC=C1CO)OCC(=O)O

PubChem CID 194291
CAS 68858-21-9
Molecular Weight (g/mol) 182.175
MDL Number MFCD00057827
SMILES C1=CC(=CC=C1CO)OCC(=O)O
Synonym 4-hydroxymethyl phenoxyacetic acid,4-hydroxymethylphenoxyacetic acid,2-4-hydroxymethyl phenoxy acetic acid,hmp linker,p-hydroxymethyl phenoxyacetic acid,4-hydroxymethyl-phenoxy acetic acid
IUPAC Name 2-[4-(hydroxymethyl)phenoxy]acetic acid
InChI Key VUCNQOPCYRJCGQ-UHFFFAOYSA-N
Molecular Formula C9H10O4